摘要
第四到第七主族元素以及惰性气体元素可以作为电子受体位点形成分子间吸引性的非共价键合作用。这些电子受体位点,即缺电子密度的位点,大多情况下具有正的分子表面静电势,可以将其分为2类。沿着σ共价键键轴延伸方向原子的外围中心具有正的分子表面静电势的区域称之为σ-穴。而垂直于分子σ-骨架平面具有正的分子表面静电势区域称之为π-穴。σ-穴和π-穴与富电性位点之间吸引性的相互作用分别称之为σ-穴键和π-穴键。σ-穴键倾向于180°,而π-穴键倾向于90°。按照元素周期表族的名称,σ-穴键又分为碳素键、氮素键、氧素键、卤键、惰素键等。可见流行的卤键只是σ-穴键的一个子集。π-穴键分类显得复杂些,可简单分为单原子和多原子π-穴键。
The Group 14-18 Elements of the Periodic Table can work as electrophilic sites and can form attractive interaction with electron-rich partners. The electrophilic sites have low density generally as electron density acceptor, and have positive molecular surface electrostatic potentials in most cases. The sites can be divided into two types. The positive surface electrostatic potential region of a molecular entity along extension of the covalent σ-bonding axis is named σ- hole, while the region with a positive surface electrostatic potential in the direction perpendicular to the σ-framework of the molecular entity can be called the π-hole. The attractive interaction between σ-hole or π-hole and electron-rich partner is named σ-hole bond or π-hole bond, respectively. The σ-hole bond is apt to 180 degree, and π-hole bond to 90 degree. According to the group names of the Element Periodic Table, σ-hole bond can be divided into some categories, including aerogen bond, halogen bond, chalcogen bond, pnictogen bond and tetrel bond, the current halogen bonding is a subset of σ-hole bonding. The classification of π-hole bond appears to be somewhat complicated, simply including single and multi-atoms π-hole bond.
作者
崔瑜瑾
晋卫军
CUI Yu-Jin;JIN Wei-Jun(Department of Chemistry, Changzhi University, Changzhi 046011, China;College of Chemistry, Beijing Normal University, Beijing 100875, China)
出处
《化学教育（中英文）》
CAS
北大核心
2018年第14期1-11,共11页
Chinese Journal of Chemical Education
基金
国家自然科学基金资助,“卤键和氢键、π-π堆积作用共驱组装功能化复合晶体”(90922023,20675013)
关键词
σ-穴键
π-穴键
卤键
氧素键
氮素键
碳素键
惰素键
σ-hole bond
π-hole bond
halogen bond
chalcogen bond
pnictogen bond
tetrel bond
aerogen bond
